1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide

C16H15ClN2O3S — CID 2940704

IUPAC1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc21
InChIInChI=1S/C16H15ClN2O3S/c1-11(20)19-9-8-12-6-7-13(10-16(12)19)23(21,22)18-15-5-3-2-4-14(15)17/h2-7,10,18H,8-9H2,1H3
InChIKeyONBWFKLRLOUSJW-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.05
Rot. Bonds3

About 1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide

1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 2940704) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID2940704
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc21
InChIInChI=1S/C16H15ClN2O3S/c1-11(20)19-9-8-12-6-7-13(10-16(12)19)23(21,22)18-15-5-3-2-4-14(15)17/h2-7,10,18H,8-9H2,1H3
InChIKeyONBWFKLRLOUSJW-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 26488025
1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 58565725
1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
CID 122141660
1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide
CID 82725077
4-acetyl-N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519383
2-acetyl-N-(3-chloro-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110300854
1-acetyl-N-(2-thiophen-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 17469301
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-chlorophenyl)butanamide
CID 46276882

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide (CID 2940704) is 1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide is CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc21.
What is the InChIKey of 1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is ONBWFKLRLOUSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-11(20)19-9-8-12-6-7-13(10-16(12)19)23(21,22)18-15-5-3-2-4-14(15)17/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide?
1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 350.83 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 2940704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).